4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine

C18H21N3O — CID 141188121

IUPAC4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESCc1cc2[nH]nc(-c3cccc(OCC(C)C)c3)c2c(C)n1
InChIInChI=1S/C18H21N3O/c1-11(2)10-22-15-7-5-6-14(9-15)18-17-13(4)19-12(3)8-16(17)20-21-18/h5-9,11H,10H2,1-4H3,(H,20,21)
InChIKeyMAXLENJLRQLVQY-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.28
Rot. Bonds4

About 4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine

4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 141188121) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID141188121
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESCc1cc2[nH]nc(-c3cccc(OCC(C)C)c3)c2c(C)n1
InChIInChI=1S/C18H21N3O/c1-11(2)10-22-15-7-5-6-14(9-15)18-17-13(4)19-12(3)8-16(17)20-21-18/h5-9,11H,10H2,1-4H3,(H,20,21)
InChIKeyMAXLENJLRQLVQY-UHFFFAOYSA-N
XLogP4.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 82161283
3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852082
3-[3-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446055
diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
CID 177480590
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
CID 842809
1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene
CID 155932805
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine
CID 74242452
[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847041
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine (CID 141188121) is 4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine is Cc1cc2[nH]nc(-c3cccc(OCC(C)C)c3)c2c(C)n1.
What is the InChIKey of 4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is MAXLENJLRQLVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-11(2)10-22-15-7-5-6-14(9-15)18-17-13(4)19-12(3)8-16(17)20-21-18/h5-9,11H,10H2,1-4H3,(H,20,21).
What are the key properties of 4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine?
4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 295.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 141188121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).